Information card for entry 1552595

Structure parameters

• Common name: HQT52a
• Formula: C32 H40 O12
• Calculated formula: C32 H40 O12
• SMILES: O(C(=O)/C=C/c1ccccc1)[C@@H]1[C@]2([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]3C(O[C@@]2([C@@H]3O)[C@@H](C[C@@H]1OC(=O)C)C)(C)C)COC(=O)C
• Title of publication: Tripterfordins A-O, Dihydro-β-agarofuran Sesquiterpenoids from the Leaves of <i>Tripterygium wilfordii</i>.
• Authors of publication: Zhou, Le; He, Qing-Jun; Lu, Li-Wei; Zhao, Feng; Zhang, Yan; Huang, Xiao-Xiao; Lin, Bin; Song, Shao-Jiang
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 10
• Pages of publication: 2696 - 2706
• a: 9.618 ± 0.01 Å
• b: 12.165 ± 0.006 Å
• c: 13.421 ± 0.008 Å
• α: 90°
• β: 93.76 ± 0.04°
• γ: 90°
• Cell volume: 1567 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No